N-(4-bromophenyl)-2-(6,7-dimethoxy-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(6,7-dimethoxy-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-6,7-dimethoxy-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[(6,7-dimethoxy-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-(6,7-dimethoxy-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-6,7-dimethoxy-quinazolin-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Br)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Br)CC=C)OC

InChI

InChI=1S/C21H20BrN3O4S/c1-4-9-25-20(27)15-10-17(28-2)18(29-3)11-16(15)24-21(25)30-12-19(26)23-14-7-5-13(22)6-8-14/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,26)